NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4692 8.1749 117.3732 63.7497 70.0821 173.1278 2 T 4.5459 8.8791 120.5182 60.2080 72.1399 171.4482 3 I 5.0945 9.2681 121.0266 59.2169 41.1517 174.6973 4 V 4.6622 8.8455 116.8451 59.8153 36.4861 174.5127 5 G 4.5130 8.5079 107.9106 44.8114 0.0000 172.4129 6 V 4.5947 9.0160 123.6238 61.2094 35.0274 174.1777 7 K 4.8306 8.8240 127.6038 55.8313 33.3359 176.0977 8 F 5.0916 8.6006 117.8944 54.7294 41.2417 175.6898 9 N 4.1209 8.7964 118.7693 55.7115 37.1009 175.0367 10 N 4.9267 8.4511 114.4423 51.5474 40.3667 174.4573 11 G 3.5074 6.0122 103.9551 45.3050 0.0000 172.4058 12 V 4.9951 7.7630 118.8482 60.1374 34.8295 175.1336 13 V 4.8192 9.0775 121.1804 60.0602 34.9335 174.3386 14 I 5.2240 8.3366 114.5039 59.4129 40.7708 173.8485 15 A 4.9291 8.7245 124.7474 50.8009 23.1040 174.3390 16 A 5.5545 8.4390 118.3749 52.0474 22.1515 175.9031 17 D 4.7523 8.6500 120.0665 52.8340 41.1939 176.1061 18 T 4.7784 8.1900 105.0976 60.6410 70.1137 173.4805 19 R 4.5423 8.1815 122.6194 56.2401 31.2477 175.5774 20 S 4.9323 8.8381 120.1334 56.7089 65.5431 172.7043 21 T 5.1618 8.5133 115.4763 60.1621 72.3238 173.4154 22 Q 4.3517 9.0201 122.9981 53.7924 30.6530 176.0344 23 G 3.6985 8.7522 116.8466 46.5769 0.0000 171.2662 24 P 4.6827 0.0000 0.0000 62.2764 31.5999 175.1332 25 I 4.2794 7.6303 120.6677 59.9008 38.6196 175.0818 26 V 4.2461 8.2205 124.4356 61.9523 31.5683 175.4645 27 A 4.1466 8.7650 131.4936 54.1465 18.9980 176.8580 28 D 4.8177 7.7871 115.6079 52.4332 43.1787 176.1149 29 K 4.2690 8.7114 125.5054 58.0938 33.1063 176.7868 30 N 5.2926 8.3364 117.7805 52.2825 37.7865 173.1790 31 C 4.6594 8.9282 117.0483 57.9307 32.5553 173.8711 32 A 4.8338 8.4522 121.1409 50.5426 20.0224 176.7295 33 K 4.3541 8.8168 121.1220 56.5751 34.1031 175.9401 34 L 4.9178 7.7467 120.8130 53.8484 42.5769 175.7260 35 H 4.9662 9.6443 121.5557 53.5845 32.7479 173.6084 36 R 3.0265 7.8729 122.2786 55.9061 30.5953 175.7738 37 I 4.1508 8.0061 124.6854 62.2871 39.1898 175.7020 38 S 4.6061 7.2293 112.2365 55.8500 66.0963 172.6551 39 P 4.3125 0.0000 0.0000 65.3542 31.1955 177.8142 40 K 4.6841 7.9887 113.6209 55.9804 32.4422 175.3985 41 I 4.6202 7.8220 120.5932 59.6132 39.5649 174.9307 42 W 4.9835 9.1382 127.4369 55.4141 32.0045 175.0513 43 C 5.3729 9.3313 120.8283 57.9280 34.9204 172.2726 44 A 5.2224 9.3505 127.8308 50.1701 21.1100 175.6166 45 G 4.5941 8.7050 108.7410 44.4720 0.0000 172.1711 46 A 4.7931 9.4248 122.6917 49.9073 23.0731 175.9214 47 G 4.0934 9.0486 103.7622 44.8533 0.0000 176.9887 48 T 4.1443 9.4833 124.8140 62.4230 67.7851 174.8268 49 A 3.9928 8.8963 129.5619 55.4708 18.2754 178.8687 50 A 3.9685 7.9980 118.3501 55.2997 18.1779 179.5291 51 D 4.2488 7.9105 117.1911 57.6070 41.0813 178.8483 52 T 3.9215 8.0126 110.3499 64.7914 68.7735 176.0805 53 E 3.8443 8.2534 122.2114 58.8428 29.8417 178.6453 54 A 3.9816 8.3760 121.4967 55.0844 18.4187 179.9919 55 V 3.5662 7.9986 117.8047 65.0893 31.6058 178.8573 56 T 3.8542 7.9933 116.4226 66.4660 68.1554 176.6111 57 Q 4.0063 7.9148 119.4891 58.2236 28.7940 178.3227 58 L 3.8602 7.6874 121.0936 58.3532 42.2286 179.1554 59 I 3.8048 7.7733 119.9175 64.1443 36.9485 178.6550 60 G 3.5919 8.0483 106.7483 47.7021 0.0000 175.6283 61 S 4.0579 8.1599 115.6988 61.4141 62.4003 176.1647 62 N 4.4003 8.2043 119.0196 56.2277 38.1353 177.5740 63 I 3.6975 8.2133 121.9267 64.1025 37.0741 178.0511 64 E 3.9120 8.3397 120.2269 59.3976 29.5647 178.8335 65 L 4.0001 7.9488 119.0079 57.9978 41.5346 179.1427 66 H 4.0939 8.5902 118.4920 59.2113 29.8717 177.0280 67 S 4.2261 8.4497 115.3852 61.6256 61.9551 176.1707 68 L 4.0009 7.9000 120.0851 58.1282 41.4759 178.6977 69 Y 4.0828 8.0940 118.4371 60.1521 37.5039 177.0454 70 T 4.3752 8.4486 109.0608 60.7483 69.3337 175.1641 71 S 3.9019 8.1604 116.6544 59.8154 60.9931 171.7468 72 R 4.7816 7.2121 115.3720 53.9191 33.6967 175.4187 73 E 4.2131 8.4901 118.7567 55.5982 30.1264 175.6754 74 P 4.4674 0.0000 0.0000 62.6570 32.3507 176.0715 75 R 4.8246 8.1336 119.9023 54.2751 32.7211 177.5117 76 V 3.6010 9.0189 121.5179 66.4042 31.5205 179.1021 77 V 3.6589 7.8191 111.3293 64.1822 31.3094 178.6563 78 S 4.0869 8.0132 115.1179 61.4141 62.7649 176.3301 79 A 3.9856 7.9164 122.9772 54.9924 18.0665 179.3380 80 L 3.8854 8.0988 119.0125 58.3779 42.3259 179.0241 81 Q 3.9634 8.2265 119.5394 59.2130 28.8747 178.0334 82 M 4.1043 8.1638 119.9735 58.0563 31.9707 178.6759 83 L 3.9924 8.0785 119.4414 57.7221 41.7882 179.7498 84 K 4.0341 8.2214 118.8413 60.2044 32.3658 179.2187 85 Q 4.0432 8.1041 118.6198 58.4609 28.3174 178.1964 86 H 4.3500 7.9214 118.6266 59.2701 30.2144 176.9278 87 L 4.1769 8.3277 121.1884 57.7530 41.4464 179.2400 88 F 3.9528 8.6167 120.9232 61.0825 39.0836 176.8265 89 K 3.7792 7.6575 118.2106 59.6155 32.0996 177.2508 90 Y 4.1988 7.6801 115.3315 56.8137 37.9646 175.6999 91 Q 2.8244 7.7338 118.0609 56.8806 25.6703 175.8509 *93 G 3.9568 7.7709 103.8628 45.3727 0.0000 174.7503 94 H 4.1382 8.6287 117.1552 57.3863 28.8782 175.5214 95 I 4.3278 6.3567 119.5992 58.7438 37.0526 177.1639 96 G 4.0910 8.5549 118.8750 45.8011 0.0000 171.2349 97 A 5.0707 7.4634 119.8774 50.4973 21.5067 177.7092 98 Y 4.5429 8.7670 119.1852 56.1835 41.3744 174.7399 99 L 5.3799 8.6885 123.1993 52.9650 46.1614 176.1516 100 I 4.5377 8.8300 123.3488 59.7431 39.2347 174.8730 101 V 4.9311 8.4881 126.9625 59.8598 33.2937 174.9177 102 A 4.7865 9.4247 125.7023 49.7405 23.3529 175.0778 103 G 4.1598 7.6026 107.2614 46.0356 0.0000 172.2164 104 V 4.5721 7.9233 112.1110 59.6588 34.8163 176.0759 105 D 4.2543 8.4078 120.8535 53.9726 38.8786 175.0866 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.17 4.47 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 2 T 8.88 4.55 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 I 9.27 5.09 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.98 0.00 0.00 4 V 8.85 4.66 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 5 G 8.51 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.02 4.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 7 K 8.82 4.83 0.00 1.68 1.66 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.37 7.81 8 F 8.60 5.09 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.80 4.12 0.00 2.90 3.09 0.00 0.00 5.75 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.45 4.93 0.00 2.72 2.98 0.00 0.00 6.80 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 6.01 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.76 5.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 13 V 9.08 4.82 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.94 0.00 0.00 14 I 8.34 5.22 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.72 4.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.44 5.55 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.65 4.75 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.19 4.78 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 19 R 8.18 4.54 0.00 1.89 2.06 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 20 S 8.84 4.93 0.00 3.93 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.51 5.16 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 Q 9.02 4.35 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.78 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 23 G 8.75 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.68 0.00 2.18 2.14 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 25 I 7.63 4.28 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.98 0.91 0.00 0.00 26 V 8.22 4.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 27 A 8.77 4.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.79 4.82 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.71 4.27 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.34 5.29 0.00 2.71 2.69 0.00 0.00 7.18 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.93 4.66 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.45 4.83 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.82 4.35 0.00 1.73 1.87 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.47 7.81 34 L 7.75 4.92 0.00 1.58 1.86 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.64 4.97 0.00 2.97 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.87 3.03 0.00 0.67 1.08 0.00 3.06 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.16 0.00 37 I 8.01 4.15 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.85 0.00 0.00 38 S 7.23 4.61 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.31 0.00 2.12 2.26 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 40 K 7.99 4.68 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.46 7.81 41 I 7.82 4.62 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.99 0.00 0.00 42 W 9.14 4.98 0.00 3.35 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 9.33 5.37 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.35 5.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.70 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.42 4.79 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.05 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 9.48 4.14 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 49 A 8.90 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.00 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.91 4.25 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.01 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 53 E 8.25 3.84 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 54 A 8.38 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.00 3.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.88 0.00 0.00 56 T 7.99 3.85 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 57 Q 7.91 4.01 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 58 L 7.69 3.86 0.00 1.81 1.69 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.77 3.80 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.23 0.87 0.00 0.00 60 G 8.05 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.16 4.06 0.00 3.93 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.20 4.40 0.00 2.76 2.83 0.00 0.00 7.11 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.21 3.70 2.07 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.90 0.00 0.00 64 E 8.34 3.91 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 65 L 7.95 4.00 0.00 1.91 1.73 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.59 4.09 0.00 3.26 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.45 4.23 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.90 4.00 0.00 1.95 1.76 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.09 4.08 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.45 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 71 S 8.16 3.90 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.21 4.78 0.00 1.77 1.81 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 73 E 8.49 4.21 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 74 P 0.00 4.47 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 75 R 8.13 4.82 0.00 1.84 1.81 0.00 3.14 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 76 V 9.02 3.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.06 0.00 0.00 77 V 7.82 3.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.92 0.00 0.00 78 S 8.01 4.09 0.00 4.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.92 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.10 3.89 0.00 1.88 1.85 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.23 3.96 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.16 4.10 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 83 L 8.08 3.99 0.00 1.86 1.72 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.22 4.03 0.00 2.01 2.14 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.48 7.81 85 Q 8.10 4.04 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 86 H 7.92 4.35 0.00 3.23 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.33 4.18 0.00 1.76 1.70 0.86 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.62 3.95 0.00 3.28 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.66 3.78 0.00 1.95 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.91 1.32 7.81 90 Y 7.68 4.20 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.73 2.82 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 *93 G 7.77 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.63 4.14 0.00 3.31 3.40 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.36 4.33 1.79 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.71 0.88 0.00 0.00 96 G 8.55 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.46 5.07 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.77 4.54 0.00 3.12 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.69 5.38 0.00 1.50 1.55 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.83 4.54 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.10 0.95 0.00 0.00 101 V 8.49 4.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 102 A 9.42 4.79 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.60 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.92 4.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 105 D 8.41 4.25 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.